3-chloranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]benzenesulfonamide Openeye Name: 3-chloro-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: 3-chloro-N-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-chloro-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]benzenesulfonamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-22-9-11-23(12-10-22)19(24)16-7-5-15(6-8-16)14-21-27(25,26)18-4-2-3-17(20)13-18/h2-8,13,21H,9-12,14H2,1H3/p+1